UCSF

ZINC01688468

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 2-(2-Isopropyl-5-methyl-phenoxy)-ethylamine 2-(2-Isopropyl-5-methyl-phenoxy)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 26583-34-6 , 471914-80-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 4.88 -42.85 3 2 1 37 194.298 4 ↓
Hi High (pH 8-9.5) 2.21 4.44 -4.22 2 2 0 35 193.29 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )